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CAS No.: | 128625-52-5 |
---|---|
Name: | Benzotriazole-1-yl-oxytripyrrolidinophosphonium hexafluorophosphate |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C18H28N6OP.PF6 |
Molecular Weight: | 520.398 |
Synonyms: | 1H-Benzotriazole,1-hydroxy-, phosphorus complex;1H-Benzotriazol-1-yloxytripyrrolidinophosphoniumhexafluorophosphate;PyBOP;Benzotriazole-1-yl-OxytripyrrolidinophosphoniumHexafluorophosphate; |
EINECS: | 260-279-1 |
Density: | 1.438 at 20℃ |
Melting Point: | 154-156 °C (dec.)(lit.) |
Solubility: | methanol: 25 mg/mL, clear |
Appearance: | off-white solid |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38-44 |
Safety: | 26-36-24/25-37/39 |
Transport Information: | UN 1325 4.1/PG 2 |
PSA: | 76.84000 |
LogP: | 6.02100 |
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PyBOP , with the CAS register number 128625-52-5 , has other names such as 1h-benzotriazol-1-yloxytripyrrolidinophosphonium hexafluorophosphate , 1h-benzotriazol-1-yloxytris(dimethylamino)phosphonium hexafluorophosphate , benzotriazolyl-n-oxytris-(dimethylamino-phosphonium hexafluorophosphate) , and (benzotriazol-1-yloxy)tripyrrolidinophosphonium hexafluorophosphate .
This is a kind of Off-White Solid and it is sensitive to moisture and also photosensitive. Being an irritant chemical, it is irritating to eyes, respiratory system and skin and may cause inflammation to the skin or other mucous membranes. And it even coculd have risk of explosion if heated under confinement. As for so many dangerous factors, we need to be very cautious while using this kind of chemical. Firstly, wear suitable protective clothing, suitable gloves and eye/face protection and avoid contact with skin and eyes. If in case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, you could also refer to WGK Germany 3 to get much more information. While conserving this chemical, you need to keep under argon at the temperature of 2-8°C.
The product categories of this kind of chemical are as the listing: peptide coupling agents, amino acid derivatives, peptide coupling reagents, biochemistry, condensation & active esterification, coupling reactions (peptide synthesis), phosphonium compounds, synthetic organic chemistry and miscellaneous reagents. As for its usage, PyBOP is usually used in solid phase peptide synthesis and it is also applied as a substitute for the BOP reagent, thus avoiding the formation of the carcinogenic side product.
In addition, you could refer to the following data information to get the molecular structure:
SMILES: F[P-](F)(F)(F)(F)F.c1cccc5c1nnn5O[P-](N2CCCC2)(N3CCCC3)N4CCCC4
InChI: InChI=1/C18H28N6OP.F6P/c1-2-10-18-17(9-1)19-20-24(18)25-26(21-11-3-4-12-21,22-13-5-6-14-22)23-15-7-8-16-23;1-7(2,3,4,5)6/h1-2,9-10H,3-8,11-16H2;/q2*-1
InChIKey: WUVPIRQIBDQADP-UHFFFAOYAK